2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone

C18H12Cl2FN3O — CID 141273343

IUPAC2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone
SMILESNC(C(=O)c1ccc(-c2cncc(F)c2)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-14-3-1-10(6-15(14)20)17(22)18(25)16-4-2-11(8-24-16)12-5-13(21)9-23-7-12/h1-9,17H,22H2
InChIKeyLTHDZCFJIBGBKA-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.47
Rot. Bonds4

About 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone

2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 141273343) has the molecular formula C18H12Cl2FN3O and a molecular weight of 376.22 g/mol. Its IUPAC name is 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone
PubChem CID141273343
Molecular FormulaC18H12Cl2FN3O
Molecular Weight376.22 g/mol
Exact Mass375.03
IUPAC Name2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone
SMILESNC(C(=O)c1ccc(-c2cncc(F)c2)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-14-3-1-10(6-15(14)20)17(22)18(25)16-4-2-11(8-24-16)12-5-13(21)9-23-7-12/h1-9,17H,22H2
InChIKeyLTHDZCFJIBGBKA-UHFFFAOYSA-N
XLogP4.47
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone (CID 141273343) is 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone is NC(C(=O)c1ccc(-c2cncc(F)c2)cn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone?
The InChIKey is LTHDZCFJIBGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O/c19-14-3-1-10(6-15(14)20)17(22)18(25)16-4-2-11(8-24-16)12-5-13(21)9-23-7-12/h1-9,17H,22H2.
What are the key properties of 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone?
2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 376.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dichlorophenyl)-1-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 141273343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).